Geometry & MOs

Info

ID:	178258
PubChem CID:	76305703
Reduced:	OF3N3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-126.96
Dipole, Da:	3.39
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CN(C)C(=O)C=CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations